1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol

C18H21FO4 — CID 110017824

IUPAC1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COCC(O)COc1cccc(C)c1F
InChIInChI=1S/C18H21FO4/c1-13-6-5-9-17(18(13)19)23-12-15(20)11-22-10-14-7-3-4-8-16(14)21-2/h3-9,15,20H,10-12H2,1-2H3
InChIKeyXMDCVRQQKXDAOM-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.10
Rot. Bonds8

About 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol

1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 110017824) has the molecular formula C18H21FO4 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
PubChem CID110017824
Molecular FormulaC18H21FO4
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COCC(O)COc1cccc(C)c1F
InChIInChI=1S/C18H21FO4/c1-13-6-5-9-17(18(13)19)23-12-15(20)11-22-10-14-7-3-4-8-16(14)21-2/h3-9,15,20H,10-12H2,1-2H3
InChIKeyXMDCVRQQKXDAOM-UHFFFAOYSA-N
XLogP3.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-6-methoxyphenoxy)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 109416030
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
CID 109416037
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
CID 109414144
2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243449
2-fluoro-6-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243450
1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
6-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propoxy]-1-benzofuran-3-one
CID 167926452
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107657511
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol (CID 110017824) is 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol is COc1ccccc1COCC(O)COc1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is XMDCVRQQKXDAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO4/c1-13-6-5-9-17(18(13)19)23-12-15(20)11-22-10-14-7-3-4-8-16(14)21-2/h3-9,15,20H,10-12H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 320.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 110017824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).